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3-butyl-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

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3-butyl-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID 5EvrBPW9iav
InChI InChI=1S/C22H24N2O3/c1-3-4-13-18-19-20(27-24(18)16-10-6-5-7-11-16)22(26)23(21(19)25)17-12-8-9-15(2)14-17/h5-12,14,18-20H,3-4,13H2,1-2H3
InChIKey UKOUKZBOOUCPFU-UHFFFAOYSA-N
Mol Weight 364.45 g/mol
Molecular Formula C22H24N2O3
Exact Mass 364.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Xrx5RP34UK
Name 3-Butyl-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-D]isoxazole-4,6(3H,5H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.178692638 u
Formula C22H24N2O3
InChI InChI=1S/C22H24N2O3/c1-3-4-13-18-19-20(27-24(18)16-10-6-5-7-11-16)22(26)23(21(19)25)17-12-8-9-15(2)14-17/h5-12,14,18-20H,3-4,13H2,1-2H3
InChIKey UKOUKZBOOUCPFU-UHFFFAOYSA-N
Molecular Weight 364.445 g/mol
SMILES C=1C=CC(N2C(C3C(N(C(C3O2)=O)C=2C=C(C)C=CC2)=O)CCCC)=CC1